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1.
Abstract. The five‐membered heteroelement cluster THF · Cl2In(OtBu)3Sn reacts with the sodium stannate [Na(OtBu)3Sn]2 to produce either the new oxo‐centered alkoxo cluster ClInO[Sn(OtBu)2]3 ( 1 ) (in low yield) or the heteroleptic alkoxo cluster Sn(OtBu)3InCl3Na[Sn(OtBu)2]2 ( 2 ). X‐ray diffraction analyses reveal that in compound 1 the polycyclic entity is made of three tin atoms which together with a central oxygen atom form a trigonal, almost planar triangle, perpendicular to which a further indium atom is connected through the oxygen atom. The metal atoms thus are arranged in a Sn3In pyramid, the edges of which are all saturated by bridging tert‐butoxy groups. The indium atom has a further chloride ligand. Compound 2 has two trigonal bipyramids as building blocks which are fused together at a six coordinate indium atom. One of the bipyramids is of the type SnO3In with tert‐butyl groups on the oxygen atoms, while the other has the composition InCl3Na with chlorine atoms connecting the two metals. The sodium atom in 2 has further contacts to two plus one alkoxide groups which are part of a[Sn(OtBu)2]2 dimer disposing of a Sn2O2 central cycle. The hetero element cluster in 2 thus combines three closed entities and its skeleton SnO3InCl3NaO2Sn2O2 consists of three different metallic and two different non‐metallic elements. 相似文献
2.
William T. A. Harrison R. Alan Howie Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):m351-m354
The title compounds, [Sn(C6H5)2(C5H4S5)] and [Sn(C5H4S5)2], respectively, are of interest because they can be regarded as intermediate in nature between chelates and heterocyclic compounds containing the C3S5 fragment. In contrast with the essentially normal bond lengths and angles within the molecules, the molecular conformations are somewhat unexpected, as are the intermolecular contacts found in the case of the latter compound. 相似文献
3.
Karsten Gloe Bieluonwu A. Uzoukwu Otto Rademacher 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e580-e581
The title compound, C12H12O2N2·H2O, is described. Although the keto–enol form of the ligand in solution is known, the compound crystallized in the orthorhombic space group P212121 with only the monohydrated 1,3‐diketo form. The intermolecular hydrogen bond between the imino N—H group of the ligand and O atom of the water molecule recorded an H?O distance of 1.73 (3) Å. 相似文献
4.
Andreas Fischer Daniel Stern Andrea Thorn Sascha Abraham Dietmar Stalke Uwe Klingebiel Prof. Dr. 《无机化学与普通化学杂志》2010,636(8):1527-1532
The lithium salt (HC–NCMe3)2SiFNLiR ( 1 ) R = C6H3(2,6‐CHMe2)2 reacts with trichlorogallium under displacement of the lithium ion by GaCl3 to give the adduct [(HC–NCMe3)2SiFN]– [(GaCl3)R·Li(thf)4]+ ( 1 ). Compound 1 thermally loses LiCl and forms the bicyclic ring intermediates V and VI . Compound VI adds the aniline H2NC6H3(2,6‐CHMe2)2 and the unsaturated, seven‐membered ring compound –NCMe3–CH2–CH=NCMe3GaCl2–NR–SiFNHR– ( 2 ) is obtained. The addition is accompanied by an enamine‐imine‐tautomerism and proves the Lewis acid character of the silicon atom in an unknown 3‐center‐2‐electron interaction of one nitrogen atom with the silicon and gallium atoms. Quantum chemical calculations of the thermal isomerisation process and crystal structures of 1 and 2 are reported. 相似文献
5.
N. Sievert A. Fischer U. Klingebiel Prof. Dr. A. Pal M. Noltemeyer 《无机化学与普通化学杂志》2007,633(8):1223-1232
2,2‐Difluor‐1,3‐diaza‐2‐sila‐cyclopentene – Synthesis and Reactions N,N′‐Di‐tert‐butyl‐1,4‐diaza‐1,3‐butadiene reacts with elemental lithium under reduction to give a dilithium salt, which forms with fluorosilanes the diazasilacyclopentenes 1 – 4 ; (HCNCMe3)2SiFR, R = F ( 1 ), Me ( 2 ), Me3C ( 3 ), N(CMe3)SiMe3 ( 4 ). As by‐product in the synthesis of 1 , the tert‐butyl‐amino‐methylene‐tert‐butyliminomethine substituted compound 5 was isolated, R = N(CMe3)‐CH2‐CH = NCMe3. 5 is formed in the reaction of 1 with the monolithium salt of the 1,4‐diaza‐1,3‐butadiene in an enamine‐imine‐tautomerism. 1 reacts with lithium amides to give (HCNCMe3)2SiFNHR, 6 – 12 , R = H ( 6 ), Me ( 7 ), Me2CH ( 8 ), Me3C ( 9 ), H5C6 ( 10 ), 2,6‐Me2C6H3 ( 11 ), 2,6‐(Me2CH)2C6H3 ( 12 ). The reaction of 12 with LiNH‐2.6‐(Me2CH)2C6H3 leads to the formation of (HCNCMe3)2Si(NHR)2, ( 13 ). In the presence of n‐BuLi, 12 forms a lithium salt which looses LiF in boiling toluene. Lithiated 12 adds this LiF and generates a spirocyclic tetramer with a central eight‐membered LiF‐ring ( 14 ), [(HCNCMe3)2Si(FLiFLiNR)]4, R = 2,6‐(Me2CH)2C6H3. ClSiMe3 reacts with lithiated 12 to yield the substitution product (HCNCMe3)2SiFN(SiMe3) R, ( 15 ). The crystal structures of 1 , 5 , 6 , 9 , 11 , 13 , 14 are reported. 相似文献
6.
Nina Armbruster Bettina Jaschke Uwe Kingebiel Claudia Voit Fabio dall' Antonia Regine Herbst‐Irmer 《无机化学与普通化学杂志》2008,634(11):1937-1942
The lithium salts of the Me3Si‐ as well as Me3Si‐ and Me2SiF‐substituted Cyclotrisilazanes I and II react with tert‐butylacylchloride under ring contraction and formation of the cyclodisilazane‐silylester, Me3SiN(SiMe2–N)2SiMe2–O–CO–CMe3 ( 1 ). The lithium salt of the fluorodi‐methylsilyl‐substituted cyclotrisilazan III forms with benzoylchloride primarily in the analogous reaction the carboxy‐silyl‐amide, Me2SiF(N–SiMe2)2SiMe2–NH–CO–C6H5+ ( 2 ), which can be converted with III and benzoylchloride into the cyclodisilazane‐silylester, Me2SiF(NSiMe2)2SiMe2–O–CO–C6H5, ( 3 ). A silylester substituted six‐membered disila‐oxadiazine ( 4 ) is the result of the reaction of the lithiated cyclotrisilazane, (Me2SiNH)2, (Me2SiNLi) with tert‐butyl‐acylchloride. The reaction includes anionic ring contraction and can be rationilized by a process analogous to keto‐enol‐tautomerism. Dilithiated octamethyl‐cyclotetrasilazane, (Me2SiNHMe2SiNLi)2, reacts with tert‐butyl‐acylchloride or benzoylchloride in a molar ratio 1:2 to yield symmetrically acylestersubstituted cyclodisilazanes, (RCO–O–SiMe2–NSiMe2)2, R = C6H5 ( 5 ), CMe3 ( 6 ). The reaction mechanisms are discussed and the crystal structures of 2 and 6 are reported. 相似文献
7.
Clair Bilton Judith A. K. Howard N. N. Laxmi Madhavi Gautam R. Desiraju Frank H. Allen 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1356-1358
The title compounds, C8H10O2, (I), and C12H14O2, (II), occurred as by‐products in the controlled synthesis of a series of bis(gem‐alkynols), prepared as part of an extensive study of synthon formation in simple gem‐alkynol derivatives. The two 4‐(gem‐alkynol)‐1‐ones crystallize in space group P21/c, (I) with Z′ = 1 and (II) with Z′ = 2. Both structures are dominated by O—H?O=C hydrogen bonds, which form simple chains in the cyclohexane derivative, (I), and centrosymmetric dimers, of both symmetry‐independent molecules, in the cyclohexa‐2,5‐diene, (II). These strong synthons are further stabilized by C[triple‐bond]C—H?O=C, Cmethylene—H?O(H) and Cmethyl—H?O(H) interactions. The direct intermolecular interactions between donors and acceptors in the gem‐alkynol group, which characterize the bis(gem‐alkynol) analogues of (I) and (II), are not present in the ketone derivatives studied here. 相似文献
8.
Hiroyuki Hosomi Shigeru Ohba Yoshikatsu Ito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):e144-e146
In the title four compounds, C13H11N·C7H4N2O6, (I), C15H15N·C7H4N2O6, (II), C16H17N·C7H4N2O6, (III), and C16H17N·C7H4N2O6, (IV), the donor and acceptor molecules are stacked alternately to form one‐dimensional columns. In (I), the N‐methyl group of the donor is nearly eclipsed with respect to one of the nitro groups of the neighboring acceptor in a column, whereas the N‐isopropyl, N‐butyl and N‐isobutyl groups are in anti positions with respect to one of the nitro groups of the neighboring acceptor in compounds (II)–(IV). 相似文献
9.
Vladimir N. Nesterov David J. Wiedenfeld Svitlana V. Nesterova Lucas F. Hastings 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):o705-o708
The syntheses, X‐ray structural investigations and calculations of the conformational preferences of the carbonyl substituent with respect to the pyran ring have been carried out for the two title compounds, viz. C15H14N2O2, (II), and C20H16N2O2·C2H3N, (III), respectively. In both molecules, the heterocyclic ring adopts a flattened boat conformation. In (II), the carbonyl group and a double bond of the heterocyclic ring are syn, but in (III) they are anti. The carbonyl group forms a short contact with a methyl group H atom in (II). The dihedral angles between the pseudo‐axial phenyl substituent and the flat part of the pyran ring are 92.7 (1) and 93.2 (1)° in (II) and (III), respectively. In the crystal structure of (II), intermolecular N—H⋯N and N—H⋯O hydrogen bonds link the molecules into a sheet along the (103) plane, while in (III), they link the molecules into ribbons along the a axis. 相似文献
10.
Ivan Leban Boenna Golankiewicz Joanna Zeidler Gerald Giester Joe Kobe 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o133-o135
In the title compound, C13H13N5O4·H2O (4,5′‐cyclowyosine·H2O), the cyclization forces a syn arrangement of the aglycon with respect to the sugar moiety. The ribofuranose part of the molecule displays a β‐d configuration with an envelope C1′‐endo pucker. The molecules are arranged in columns along the short a axis and are linked to water molecules through O—H?O and O—H?N hydrogen bonds. 相似文献
11.
Anthony Linden C. Kuan Lee A. S. Muhammad Sofian 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1098-1100
At 160 K, the glucopyranosyl ring of the title compound, C20H28ClIO13, has a near‐ideal 4C1 conformation and the fructofuranosyl ring has a twist 4T3 conformation. The two hydroxy groups are involved in intra‐ and intermolecular hydrogen bonds, with the latter interactions linking the molecules into infinite one‐dimensional chains. The absolute configuration of the molecule has been determined. 相似文献
12.
Agata Biaoska Zbigniew Ciunik 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):o182-o185
Comparison of the structures of strychninium N‐phthaloyl‐β‐alaninate N‐phthaloyl‐β‐alanine, C21H23N2O2+·C11H8NO4−·C11H9NO4, and brucinium N‐phthaloyl‐β‐alaninate 5.67‐hydrate, C23H27N2O4+·C11H8NO4−·5.67H2O, reveals that, unlike strychninium cations, brucinium cations display a tendency to produce stacking interactions with cocrystallizing guests. 相似文献
13.
Viktor A. Tafeenko Gennady N. Panin Andrey N. Baranov Ivan N. Bardasov Leonid A. Aslanov 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(12):m541-m547
Yellow–orange tetraaquabis(3‐cyano‐4‐dicyanomethylene‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olato‐κN3)cadmium(II) dihydrate, [Cd(C8HN4O2)2(H2O)4]·2H2O, (I), and yellow tetraaquabis(3‐cyano‐4‐dicyanomethylene‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olato‐κN3)cadmium(II) 1,4‐dioxane solvate, [Cd(C8HN4O2)2(H2O)4]·C4H8O2, (II), contain centrosymmetric mononuclear Cd2+ coordination complex molecules in different conformations. Dark‐red poly[[decaaquabis(μ2‐3‐cyano‐4‐dicyanomethylene‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olato‐κ2N:N′)bis(μ2‐3‐cyano‐4‐dicyanomethylene‐1H‐pyrrole‐2,5‐diolato‐κ2N:N′)tricadmium] hemihydrate], [Cd3(C8HN4O2)2(C8N4O2)2(H2O)10]·0.5H2O, (III), has a polymeric two‐dimensional structure, the building block of which includes two cadmium cations (one of them located on an inversion centre), and both singly and doubly charged anions. The cathodoluminescence spectra of the crystals are different and cover the wavelength range from UV to red, with emission peaks at 377 and 620 nm for (III), and at 583 and 580 nm for (I) and (II), respectively. 相似文献
14.
P. Arranz Mascars Justo Cobo Domingo M. Godino Salido M. D. Gutirrez Valero R. Lpez Garzn John Nicolson Low 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):e4-e5
The analysis of the title compound, [Mg(H2O)6](C7H8N5O4)2·2H2O, continues our study of the reactivity of metal ions with N‐protected amino acids. The Mg ion lies on an inversion centre with Mg—O 2.0437 (10)‐2.0952 (10) Å. The [Mg(H2O)6]2+cations, anions and water molecules are linked by an extensive hydrogen‐bond network. 相似文献
15.
L. C. R. Andrade J. A. Paixo M. J. M. de Almeida C. Siquet F. Borges 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):o95-o97
The molecule of the title compound, C23H40O4Si2, features an approximate non‐crystallographic C2 symmetry axis. The aldehyde group is disordered over two positions with similar occupancies. The geometry of the isolated molecule was studied by ab initio quantum mechanical calculations employing a molecular orbital Hartree–Fock method. The calculations reproduce well the equilibrium geometry but slightly overestimate the value of the Si—O bond lengths of the trioxadisilepine ring. 相似文献
16.
Li‐Li Kong Shan Gao Li‐Hua Huo Hui Zhao 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m632-m634
The crystal structure of the title complex, {[Cu3(C2H3O2)2(OH)2(H2O)4](C10H6O6S2)}n, is built of infinite polymeric cationic {[Cu3(C2H3O2)2(H2O)4(OH)2]2+}n chains stretching along the a axis, with naphthalene‐1,5‐disulfonate (1,5‐nds) anions in between. One independent CuII cation and the 1,5‐nds anion occupy special positions on crystallographic inversion centres. Each CuII cation has an octahedral coordination environment formed by two carboxyl O atoms, two hydroxo O atoms and two water molecules. The carboxylate and hydroxo groups perform a bridging function, linking adjacent Cu atoms in the chain, with a shortest Cu⋯Cu distance of 2.990 (3) Å. The chains are further linked into a three‐dimensional supramolecular framework via hydrogen‐bonding interactions involving the sulfonate groups of the 1,5‐nds dianions. 相似文献
17.
Zao‐Zao Qiu Xin‐Ping Hui Peng‐Fei Xu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):o475-o476
The structure of the title compound, C22H24N2O9S2, is described. This compound consists of a sugar ring and a heterocyclic base linked unusually by an S atom. The sugar is in a 4C1 chair conformation and forms dihedral angles of 49.54 (4) and 33.42 (5)° with the thiadiazole and phenyl rings, respectively. The S atom occupies an equatorial position of the sugar ring and lies 1.807 (2) Å out of the corresponding mean plane. 相似文献
18.
Lesaw Siero Katarzyna Kie‐Kononowicz Janina Karolak‐Wojciechowska 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(2):m79-m82
The two title mononuclear compounds are four‐coordinate bis[N‐(5‐oxo‐4,4‐diphenyl‐4,5‐dihydro‐1H‐imidazolidin‐2‐ylidene)glycinato]copper(II) dimethylformamide disolvate, [Cu(C17H14N3O3)2]·2C3H7NO, (I), and five‐coordinate aquabis[N‐(5‐oxo‐4,4‐diphenyl‐4,5‐dihydro‐1H‐imidazolidin‐2‐ylidene)glycinato]copper(II) dimethylformamide disolvate, [Cu(C17H14N3O3)2(H2O)]·2C3H7NO, (II). In (I), the CuII ion lies on an inversion centre with one‐half of the complex molecule in the asymmetric unit, while in (II) there are two independent ligand molecules in the asymmetric unit, with the CuII ion and coordinated water molecule located on a general position. In both crystal structures, the complex molecules assemble in ribbons via N—H...O hydrogen‐bond networks. 相似文献
19.
Fen Sun Yan‐Tuan Li Zhi‐Yong Wu Da‐Qi Wang Jian‐Min Dou 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m60-m62
The structure of the title compound, (C5H12N)4[V10O26(CH3O)2], reveals the presence of four protonated piperidinium cations and a [{V10O26}(OCH3)2]4− polyanion having an embedded centre of inversion. The compound is distinguished by presenting, in contrast with other anionic decavanadates, two methoxy groups bridging the outermost V atoms, and it becomes the first example of this type among reported decavanadates. 相似文献
20.
Frank Seela Padmaja Chittepu Henning Eickmeier 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(4):o231-o233
The title compound, C11H12F2N4O3, exhibits an anti glycosylic bond conformation, with a torsion angle χ = −117.8 (2)°. The sugar pucker is N‐type (C4′‐exo, between 3T4 and E4, with P = 45.3° and τm = 41.3°). The conformation around the exocyclic C—C bond is −ap (trans), with a torsion angle γ = −177.46 (15)°. The nucleobases are stacked head‐to‐head. The crystal structure is characterized by a three‐dimensional hydrogen‐bond network involving N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds. 相似文献